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20-Hydroxylucidenic acid N

CAT: 1410-M38465Size: 1 EachDry Ice: NoHazardous: No
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Description
20-Hydroxylucidenic acid N
CAS Number
852567-78-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

20-hydroxylucidenic acid N

20-hydroxylucidenic acid N is a triterpenoid.

CAS Number852567-78-3
PubChem CID11408923
IUPAC Name4-[(3S,5R,7S,10S,13R,14R,17S)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxypentanoic acid
Molecular FormulaC27H40O7
Molecular Weight476.6
XLogP1.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity981
SMILES
C[C@]12CC[C@@H](C([C@@H]1C[C@@H](C3=C2C(=O)C[C@]4([C@]3(C(=O)C[C@@H]4C(C)(CCC(=O)O)O)C)C)O)(C)C)O
InChI
InChI=1S/C27H40O7/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5,34)10-8-20(32)33/h14,16-18,28,30,34H,7-13H2,1-6H3,(H,32,33)/t14-,16-,17-,18-,24-,25+,26?,27-/m0/s1
InChIKey
KHMZFMPQPFGSOS-MJJUKISYSA-N
Chemical Structure
2D Structure
2D structure of 20-hydroxylucidenic acid N
CAS: 852567-78-3
CID: 11408923
Formula: C27H40O7
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass476.27740361
Monoisotopic Mass476.27740361
Topological Polar Surface Area132 Ų
Heavy Atom Count34
Formal Charge0
Complexity981
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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